SCHEMBL552436

SCHEMBL552436

CN(C)CCc1cccc(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 1.00
SIGMAR1 Q99720 2/20 0.56
HTR7 P34969 4/20 0.54
HTR1A P08908 1/20 0.50
ACHE P22303 1/20 0.49
PYCR1 P32322 1/20 0.49
CHRNA7 P36544 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7966176 0.98 TAAR1 (0.96) TAAR1SIGMAR1HTR7HTR1AACHE
SCHEMBL29327481 0.89 TAAR1 (0.79) TAAR1SIGMAR1PYCR1
SCHEMBL4399626 0.80 TAAR1 (0.74) TAAR1SIGMAR1
SCHEMBL578605 0.79 TAAR1 (0.66) TAAR1SIGMAR1HTR7PYCR1
SCHEMBL18316992 0.79 TAAR1 (0.65) TAAR1SIGMAR1
SCHEMBL27837194 0.79 TAAR1 (0.65) TAAR1SIGMAR1PYCR1
SCHEMBL3068203 0.78 TAAR1 (0.63) TAAR1HTR7HTR1AACHECHRNA7
SCHEMBL3052389 0.78 TAAR1 (0.63) TAAR1HTR7HTR1AACHECHRNA7
SCHEMBL3055268 0.78 TAAR1 (0.63) TAAR1HTR7HTR1AACHECHRNA7
SCHEMBL1513555 0.77 TAAR1 (0.63) TAAR1SIGMAR1PYCR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-12304907-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-05-20 US disclosed
US-12264154-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2025-04-01 US disclosed
US-20240279219-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-08-22 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-20240228478-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2024-07-11 US disclosed
US-11999727-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2024-06-04 US disclosed
EP-4188920-A1 PIPERIDIN-1-YL-N-PYRYDINE-3-YL-2-OXOACETAMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF MTAP-DEFICIENT AND/OR MTA-ACCUMULATING CANCERS Tango Therapeutics, Inc. (US) 2023-06-07 EP disclosed
US-20230113778-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. 2023-04-13 US disclosed
US-11492350-B2 Compounds and methods of use TANGO THERAPEUTICS, INC. (US) 2022-11-08 US disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO disclosed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO disclosed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP disclosed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase ISTITUTO DI RICERCHE DI BIOLOGIA DI MOLECULOARE P. ANGELETTI SPA (IT) 2007-07-19 US disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 WO disclosed
EP-1613634-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-01-11 EP disclosed
WO-2004087714-A1 INDOLE ACETAMIDES AS INHIBITORS OF THE HEPATITIS C VIRUS NS5B POLYMERASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2004-10-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11999727-B2 Compounds and methods of use F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-20240279219-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-11492350-B2 Compounds and methods of use F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-20230113778-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-12264154-B2 Compounds and methods of use F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-12304907-B2 Compounds and methods of use F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-20240228478-A1 COMPOUNDS AND METHODS OF USE F12, C1R, ABCG2 TAAR1 555/4885SIGMAR1 98/4885HTR7 441/4885
US-20070167447-A1 Indole acetamides as inhibitors of the hepatitis c virus ns5b polymerase IDO1, NAT1, AANAT TAAR1 140/4885SIGMAR1 251/4885HTR7 869/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 TAAR1 295/4885SIGMAR1 28/4885HTR7 639/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.